4WQB
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - bisulfite soak
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100.15 |
Detector technology | PIXEL |
Collection date | 2013-07-21 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.999 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 79.259, 70.734, 57.851 |
Unit cell angles | 90.00, 129.25, 90.00 |
Refinement procedure
Resolution | 28.700 - 1.501 |
R-factor | 0.123 |
Rwork | 0.122 |
R-free | 0.14750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.483 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((phenix.refine: dev_1830)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.700 | 1.560 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.030 | 0.150 |
Number of reflections | 37651 | |
<I/σ(I)> | 24.42 | 7.27 |
Completeness [%] | 95.0 | 91 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.28 | 293.15 | 23.5% (w/v) PEG 3350, 0.1 M Bis-tris pH 6.28, 0.2 M (NH4)2SO4, 0.1 M NaI |